SCHEMBL3248778

SCHEMBL3248778

CC(C)N1CCN(C(=O)c2ccc3c(C4CCN(S(C)(=O)=O)CC4)c[nH]c3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.54
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
HTR1F P30939 1/20 0.40
TDO2 P48775 1/20 0.40
CNR2 P34972 1/20 0.40
CHRNA7 P36544 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3239367 0.91 HRH3 (0.60) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3247741 0.88 HRH3 (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3245572 0.87 HRH3 (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3244945 0.87 HRH3 (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3249663 0.87 KDM4E (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL27746330 0.86 HRH3 (0.56) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3240701 0.86 HRH3 (0.57) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3236043 0.85 HRH3 (0.55) HRH3KDM4EBRD4ALDH1A1POLB
SCHEMBL3240674 0.85 HRH3 (0.60) HRH3ALDH1A1
SCHEMBL3242821 0.85 HRH3 (0.59) HRH3KDM4EBRD4ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069331-B1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
CN-101490039-A 1H-indol-6-yl-piperazin-1-yl-methanone-derivatives for use as H3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-07-22 CN disclosed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US disclosed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HTR6, HTR1A, HRH4 HRH3 5/4885KDM4E 1083/4885BRD4 333/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.